OEI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| N04 | C03 | sing | 1.47Å | 1.45Å | |
| N04 | C05 | sing | 1.47Å | 1.46Å | |
| C06 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | O01 | sing | 1.43Å | 1.40Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| N04 | H041 | sing | 1.01Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C08 | C07 | 119.7° | 120.0° |
| C08 | C09 | C10 | 120.3° | 120.1° |
| C09 | C08 | H081 | 120.2° | 120.0° |
| C08 | C09 | H091 | 119.9° | 120.0° |
| C08 | C07 | C06 | 120.2° | 120.0° |
| C08 | C07 | H071 | 119.9° | 120.0° |
| C07 | C08 | H081 | 120.2° | 120.0° |
| C09 | C10 | C11 | 119.4° | 120.0° |
| C09 | C10 | H101 | 120.3° | 120.1° |
| C10 | C09 | H091 | 119.9° | 120.0° |
| C07 | C06 | C11 | 120.3° | 120.0° |
| C07 | C06 | C05 | 119.5° | 120.0° |
| C06 | C07 | H071 | 119.9° | 120.0° |
| C10 | C11 | C06 | 120.2° | 120.0° |
| C11 | C10 | H101 | 120.3° | 120.0° |
| C10 | C11 | H111 | 119.9° | 120.0° |
| C03 | N04 | C05 | 111.2° | 111.0° |
| N04 | C03 | C02 | 110.0° | 109.5° |
| N04 | C03 | H031 | 109.3° | 109.4° |
| N04 | C03 | H032 | 109.3° | 109.4° |
| C03 | N04 | H041 | 109.0° | 111.0° |
| N04 | C05 | C06 | 108.6° | 109.5° |
| N04 | C05 | H051 | 109.7° | 109.5° |
| N04 | C05 | H052 | 109.7° | 109.5° |
| C05 | N04 | H041 | 109.0° | 111.0° |
| C11 | C06 | C05 | 120.3° | 120.0° |
| C06 | C11 | H111 | 119.9° | 120.0° |
| C06 | C05 | H051 | 109.7° | 109.5° |
| C06 | C05 | H052 | 109.7° | 109.5° |
| C03 | C02 | O01 | 107.8° | 109.4° |
| C03 | C02 | H022 | 109.9° | 109.5° |
| C03 | C02 | H021 | 109.9° | 109.5° |
| C02 | C03 | H031 | 109.4° | 109.5° |
| C02 | C03 | H032 | 109.3° | 109.5° |
| O01 | C02 | H022 | 109.9° | 109.4° |
| O01 | C02 | H021 | 109.9° | 109.5° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| H022 | C02 | H021 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | C07 | H081 | 180.0° | 179.4° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 0.6° | 0.9° |
| C08 | C09 | C10 | C11 | 0.3° | 0.0° |
| C08 | C09 | C10 | H101 | 179.7° | 179.7° |
| C09 | C08 | C07 | H071 | 179.4° | 179.7° |
| C07 | C08 | C09 | C10 | 0.8° | 0.6° |
| C08 | C07 | C06 | H071 | 180.0° | 179.4° |
| C08 | C07 | C06 | C11 | 0.2° | 0.7° |
| C08 | C07 | C06 | C05 | 179.3° | 179.4° |
| C07 | C08 | C09 | H091 | 179.2° | 179.4° |
| C09 | C10 | C11 | H101 | 180.0° | 179.7° |
| C09 | C10 | C11 | C06 | 0.5° | 0.3° |
| C10 | C09 | C08 | H081 | 179.2° | 180.0° |
| C09 | C10 | C11 | H111 | 179.5° | 179.7° |
| C07 | C06 | C11 | C10 | 0.8° | 0.1° |
| C07 | C06 | C05 | N04 | 94.0° | 89.9° |
| C07 | C06 | C11 | C05 | 179.5° | 179.9° |
| C07 | C06 | C05 | H051 | 25.9° | 30.0° |
| C07 | C06 | C05 | H052 | 146.1° | 150.0° |
| C06 | C07 | C08 | H081 | 179.4° | 179.7° |
| C07 | C06 | C11 | H111 | 179.2° | 180.0° |
| C10 | C11 | C06 | H111 | 180.0° | 179.9° |
| C10 | C11 | C06 | C05 | 178.7° | 180.0° |
| C11 | C10 | C09 | H091 | 179.7° | 180.0° |
| C03 | N04 | C05 | H041 | 120.2° | 124.0° |
| C03 | N04 | C05 | C06 | 170.8° | 180.0° |
| N04 | C03 | C02 | H031 | 120.1° | 120.0° |
| N04 | C03 | C02 | H032 | 120.1° | 120.0° |
| N04 | C03 | C02 | O01 | 112.6° | 65.0° |
| N04 | C03 | C02 | H022 | 127.7° | 175.0° |
| N04 | C03 | C02 | H021 | 7.1° | 55.0° |
| N04 | C03 | H031 | H032 | 119.7° | 119.9° |
| C03 | N04 | C05 | H051 | 51.0° | 60.0° |
| C03 | N04 | C05 | H052 | 69.3° | 60.0° |
| N04 | C05 | C06 | C11 | 85.5° | 90.0° |
| N04 | C05 | C06 | H051 | 119.9° | 120.0° |
| N04 | C05 | C06 | H052 | 119.9° | 120.0° |
| C05 | N04 | C03 | C02 | 121.2° | 180.0° |
| C05 | N04 | C03 | H031 | 1.1° | 60.0° |
| C05 | N04 | C03 | H032 | 118.7° | 60.0° |
| N04 | C05 | H051 | H052 | 120.4° | 120.0° |
| C06 | C11 | C10 | H101 | 179.5° | 180.0° |
| C11 | C06 | C05 | H051 | 154.7° | 150.0° |
| C11 | C06 | C05 | H052 | 34.4° | 30.0° |
| C11 | C06 | C07 | H071 | 179.8° | 179.9° |
| C06 | C05 | H051 | H052 | 120.4° | 120.0° |
| C05 | C06 | C07 | H071 | 0.7° | 0.0° |
| C05 | C06 | C11 | H111 | 1.3° | 0.1° |
| C06 | C05 | N04 | H041 | 68.9° | 56.0° |
| C03 | C02 | O01 | H022 | 119.7° | 120.0° |
| C03 | C02 | O01 | H021 | 119.7° | 120.1° |
| C03 | C02 | H022 | H021 | 120.8° | 120.1° |
| C02 | C03 | H031 | H032 | 119.8° | 120.1° |
| C02 | C03 | N04 | H041 | 1.0° | 56.1° |
| C03 | C02 | O01 | H011 | 180.0° | 180.0° |
| O01 | C02 | H022 | H021 | 120.8° | 120.0° |
| O01 | C02 | C03 | H031 | 7.5° | 175.0° |
| O01 | C02 | C03 | H032 | 127.3° | 55.0° |
| H101 | C10 | C09 | H091 | 0.3° | 0.3° |
| H101 | C10 | C11 | H111 | 0.5° | 0.0° |
| H022 | C02 | C03 | H031 | 112.3° | 55.1° |
| H022 | C02 | C03 | H032 | 7.6° | 65.0° |
| H022 | C02 | O01 | H011 | 60.3° | 60.0° |
| H021 | C02 | C03 | H031 | 127.2° | 65.0° |
| H021 | C02 | C03 | H032 | 113.0° | 175.0° |
| H021 | C02 | O01 | H011 | 60.3° | 60.0° |
| H031 | C03 | N04 | H041 | 119.1° | 176.1° |
| H032 | C03 | N04 | H041 | 121.1° | 64.0° |
| H051 | C05 | N04 | H041 | 171.2° | 63.9° |
| H052 | C05 | N04 | H041 | 50.9° | 176.0° |
| H071 | C07 | C08 | H081 | 0.6° | 0.3° |
| H081 | C08 | C09 | H091 | 0.8° | 0.0° |
